4-[N-(pentan-3-ylcarbamoyl)anilino]butanoic acid

C16H24N2O3 — CID 61188489

IUPAC4-[N-(pentan-3-ylcarbamoyl)anilino]butanoic acid
SMILESCCC(CC)NC(=O)N(CCCC(=O)O)c1ccccc1
InChIInChI=1S/C16H24N2O3/c1-3-13(4-2)17-16(21)18(12-8-11-15(19)20)14-9-6-5-7-10-14/h5-7,9-10,13H,3-4,8,11-12H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyMISIYOLUGVNMPM-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.26
Rot. Bonds8

About 4-[N-(pentan-3-ylcarbamoyl)anilino]butanoic acid

4-[N-(pentan-3-ylcarbamoyl)anilino]butanoic acid (PubChem CID 61188489) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-[N-(pentan-3-ylcarbamoyl)anilino]butanoic acid.

Molecular Properties

Compound Name4-[N-(pentan-3-ylcarbamoyl)anilino]butanoic acid
PubChem CID61188489
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name4-[N-(pentan-3-ylcarbamoyl)anilino]butanoic acid
SMILESCCC(CC)NC(=O)N(CCCC(=O)O)c1ccccc1
InChIInChI=1S/C16H24N2O3/c1-3-13(4-2)17-16(21)18(12-8-11-15(19)20)14-9-6-5-7-10-14/h5-7,9-10,13H,3-4,8,11-12H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyMISIYOLUGVNMPM-UHFFFAOYSA-N
XLogP3.26
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[N-(2-methylpropylcarbamoyl)anilino]butanoic acid
CID 61188835
3-[2-methyl-N-(pentan-3-ylcarbamoyl)anilino]propanoic acid
CID 61188137
4-(N-[(2S)-2-aminobutanoyl]anilino)butanoic acid
CID 79022828
3-[[butyl(phenyl)carbamoyl]amino]butanoic acid
CID 64585223
4-[N-(cyclopropylcarbamoyl)anilino]butanoic acid
CID 61187931
4-[N-(2-methylsulfonylpropanoyl)anilino]butanoic acid
CID 104517481
4-[N-(3-methylsulfanylpropylcarbamoyl)anilino]butanoic acid
CID 63958568
3-[N-(butylcarbamoyl)anilino]propanoic acid
CID 60828926
4-[N-(2-aminopentanoyl)anilino]butanoic acid
CID 61162052
4-[N-(2-aminohexanoyl)anilino]butanoic acid
CID 61159735
4-[N-(3-aminopropanoyl)anilino]butanoic acid
CID 61161462
4-[[ethyl(phenyl)carbamoyl]-methylamino]butanoic acid
CID 43329801

Frequently Asked Questions

What is the IUPAC name of 4-[N-(pentan-3-ylcarbamoyl)anilino]butanoic acid?
The IUPAC name of 4-[N-(pentan-3-ylcarbamoyl)anilino]butanoic acid (CID 61188489) is 4-[N-(pentan-3-ylcarbamoyl)anilino]butanoic acid.
What is the SMILES notation for 4-[N-(pentan-3-ylcarbamoyl)anilino]butanoic acid?
The canonical SMILES for 4-[N-(pentan-3-ylcarbamoyl)anilino]butanoic acid is CCC(CC)NC(=O)N(CCCC(=O)O)c1ccccc1.
What is the InChIKey of 4-[N-(pentan-3-ylcarbamoyl)anilino]butanoic acid?
The InChIKey is MISIYOLUGVNMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-13(4-2)17-16(21)18(12-8-11-15(19)20)14-9-6-5-7-10-14/h5-7,9-10,13H,3-4,8,11-12H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 4-[N-(pentan-3-ylcarbamoyl)anilino]butanoic acid?
4-[N-(pentan-3-ylcarbamoyl)anilino]butanoic acid has a molecular weight of 292.38 g/mol, XLogP of 3.26, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[N-(pentan-3-ylcarbamoyl)anilino]butanoic acid is sourced from PubChem (CID 61188489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).